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Todo List #6

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1 of 2 tasks
cortner opened this issue May 24, 2024 · 2 comments
Closed
1 of 2 tasks

Todo List #6

cortner opened this issue May 24, 2024 · 2 comments

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@cortner
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cortner commented May 24, 2024 •
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For now, I'm just documenting a todo list of things I want to sort out as we clean this up. Some of these might just get dropped again.

  • I would like to make ChemicalSymbol the default for get_id, I do not like a number be treated as a categorical variable, it has led to so much confusion and bugs in JuLIP. But to be clear, not the Symbol, but ChemicalSymbol just being a wrapper for the atomic number.
  • Base.zero(::SitePotential) = zero(1.0u"eV") is problematic for type stability. I will try to avoid it.
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cortner commented Aug 10, 2024

the chemical symbol issue should be resolved with AB0.4

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cortner commented Sep 3, 2024

the remaining item is being discussed in #9

@cortner cortner closed this as completed Sep 3, 2024
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